• Inelastic Tunneling Processes
• Photoelectron Diffraction
• Medium Energy Ion Scattering
• Photoemission and Inverse Photoemission
• Surface X-Ray Diffraction/X-Ray Standing Wave
• EXAFS/NEXAFS
• Scanning Probe Microscopy
• Vibrational Spectroscopy
• First Principles Simulation: CRYSTAL
• First Principles Simulation: Plane Waves
• NanoStructures and Nanotechnology
• LEED
• Reflection Anisotropy Spectroscopy

Inelastic Tunneling Processes

1. G Cabailh, R Lindsay, O Bikondoa, J Roy, J Zegenhagen, G Teobaldi, WA Hofer and G Thornton, Geometric Structure of TiO2(011)(2x1), Phys. Rev. Lett 101 (2008) 185501
2. WA Hofer, G Teobaldi and N Lorente,Creating pseudo-Kondo resonances by field-induced diffusion of atomic hydrogen, Nanotechnology 19 (2008) 305701
3. G Teobaldi, M Penalba, A Arnau, N Lorente and WA Hofer, Including the probe tip in theoretical models of inelastic scanning tunneling spectroscopy: CO on Cu(100)Phys. Rev. B 76 (2007) 235407
4. G Teobaldi, WA Hofer, O Bikondoa, CL Pang, G Cabailh, G Thornton, Modelling STM images of TiO2(110) from first-principles: Defects, water adsorption and dissociation products, Phys. Rev. Lett 73 (2007) 73

Photoelectron Diffraction

1. Bradley, MK; Robinson, J; Woodruff, DP The structure and bonding of furan on Pd(111) SURFACE SCIENCE Volume: 604 Issue: 11-12 Pages: 920-925 Published: 2010
2. Woodruff, DP Surface structural information from photoelectron diffraction JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA Volume: 178 Pages: 186-194 Published: 2010
3. Woodruff, DP The structure of surfaces: what do we know and what would we like to know? JOURNAL OF PHYSICS-CONDENSED MATTER Volume: 22 Issue: 8 Article Number: 084016 Published: 2010
4. Woodruff, DP Photoelectron diffraction: from phenomenological demonstration to practical tool APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING Volume: 92 Issue: 3 Pages: 439-445 Published: 2008
5. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, M. Cavalleri, K. Hermann, D. P. Woodruff, The local structure of OH species on the V2O3(0001) surface: a scanned-energy mode photoelectron diffraction study Surf. Sci. 602 (2008) 1267-1279
6. G. Nisbet, C. L. A. Lamont, M. Polcik, R. Terborg, D. I. Sayago, M. Kittel, J. T. Hoeft, R. L. Toomes, D. P. Woodruff, The local adsorption structure of benzene on Si(001)-(2x1): a photoelectron diffraction investigation, J. Phys.: Condens. Matter, 20 (2008) 304206-1-11
7. F. Allegretti, F. Bussolotti, D. P. Woodruff, V. R. Dhanak, M. Beccari, V. Di Castro, M.G. Betti, C. Mariani, Structure investigation of the Cu(100)c(2x6)-benzenethiolate surface phase Surf.Sci. 602 (2008) 2453-2462
8. M. J. Knight, F. Allegretti, E. A. Kroger, M. Polcik, C. L. A. Lamont, D. P. Woodruff, The adsorption structure of furan on Pd(111), Surf. Sci. 602 (2008) 2524-2531
9. M. J. Knight, F. Allegretti, E. A. Kroger, M. Polcik, C. L. A. Lamont, D. P. Woodruff, A structural study of a C3H3 species coadsorbed with CO on Pd(111), Surf. Sci. 602 (2008) 2743-2751
10. D. P. Woodruff, Adsorbate structure determination using photoelectron diffraction, Surf. Sci. Rep. 62 (2007) 1-38
11. G. Nisbet, C.L.A. Lamont, M. Polcik, R. Terborg, D.I. Sayago, J.T. Hoeft, M. Kittel, R.L. Toomes and D.P. Woodruff, Structural analysis of Pt(111)-c(sqrt3 x 5)rect-CO using photoelectron diffraction, Surf. Sci. 601 (2007) 1296-1303
12. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, D. P. Woodruff, A photoelectron diffraction investigation of the structure of the clean TiO2(110)(1x1) surface, Phys. Rev. B 75 (2007) 195413-1-10
13. E. A. Kroger, D. I. Sayago, F. Allegretti, M. J. Knight, M. Polcik, W. Unterberger, T. J. Lerotholi, K. A. Hogan, C. L. A. Lamont, D. P. Woodruff, The structure of the V2O3(0001) surface: a scanned-energy mode photoelectron diffraction study, Surf. Sci. 601 (2007) 3350-3360
14. F. Allegretti, M. Polcik, D.P. Woodruff, Quantitative determination of the local structure of thymine on Cu(110) using scanned-energy mode photoelectron diffraction, Surf. Sci. 601 (2007) 3611-3622
15. F. Allegretti, S. OBrien, M. Polcik, D.I. Sayago and D.P. Woodruff , Quantitative determination of the local structure of H2O on TiO2(110) using scanned-energy mode photoelectron diffraction Surf. Sci. 600 (2006) 1487-1496

Medium Energy Ion Scattering

1. G. S. Parkinson, A. Hentz, P. D. Quinn, A. J. Window, D. P. Woodruff, P. Bailey, T. C. Q. Noakes, Methylthiolate-induced reconstruction of Ag(111): a medium energy ion scattering study Surf. Sci 601 (2007) 50-57
2. G. S. Parkinson, M. A. Munoz-Marquez, P. D. Quinn, M. J. Gladys, R. E. Tanner, D. P. Woodruff, P. Bailey, T. C. Q. Noakes A medium energy ion scattering study of the structure of the clean TiO2(110)(1x1) surface, Phys. Rev. B 73 (2006) 245409-1-11
3. A. Hentz, G. S. Parkinson, A. Window, P. D. Quinn, D. P. Woodruff, P. L. Grande, G. Schiwietz, P. Bailey, T. C. Q. Noakes, Inelastic Energy Loss in 100 keV H+ Scattering from Single Atoms: Theory and Experiment for K, Rb and Cs Phys. Rev. B 74 (2006) 125408-1-8

Photoemission and Inverse Photoemission

1. Woodruff, DP Photoelectron diffraction: from phenomenological demonstration to practical tool APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING Volume: 92 Issue: 3 Pages: 439-445 Published: 2008
2. D.P.Woodruff, Non-dipole effects in high energy photoemission; identification and quantification using X-ray standing waves Nucl. Instrum. Methods A 547 (2005) 187-195

Surface X-Ray Diffraction/X-Ray Standing Wave

1. Torrelles, X; Cabailh, G; Lindsay, R, et al. Geometric Structure of TiO2(011)(2x1) PHYSICAL REVIEW LETTERS Volume: 101 Issue: 18 Article Number: 185501 Published: 2008
2. M. S. Kariapper, C. J. Fisher, D. P. Woodruff, A. S. Y. Chan, Robert G. Jones, Structure determination of PF3 adsorption on Cu(100) using X-ray standing waves, Surf. Sci. 602 (2008) 650-659
3. Miao Yu, D.P.Woodruff, Christopher J. Satterley, Robert G. Jones, V. R. Dhanak, Structural investigation of the interaction of molecular sulphur with Ag(111), J. Phys. Chem. C 111 (2007) 3152-3162
4. Miao Yu, D.P.Woodruff, C. J. Satterley, Robert G. Jones, V. R. Dhanak, The structure of the pentylthiolate self-assembled monolayer on Ag(111) J. Phys. Chem. C 111 (2007) 10041-10048
5. Miao Yu, H. Ascolani, G. Zampieri, D.P.Woodruff, C. J. Satterley, Robert G. Jones, V. R. Dhanak, The structure of atomic sulfur phases on Au(111) J. Phys. Chem. C 111 (2007) 10904-10914
6. Miao Yu, D.P.Woodruff, N. Bovet, C.J. Satterley, K. Lovelock, Robert G. Jones, V. Dhanak, Structure investigation of Ag(111)-CH3 by X-ray standing waves: a case of thiol-induced substrate reconstruction J. Phys. Chem. B 110 (2006) 2164-2170
7. Miao Yu, N. Bovet, Christopher J. Satterley, S. Bengió, Kevin R. J. Lovelock, P. K. Milligan, Robert G. Jones, D. P. Woodruff, V. Dhanak, The True Nature of an Archetypal Self-Assembly System: Mobile Au-thiolate Species on Au(111) Phys. Rev. Lett. 97 (2006) 166102-1-4 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 14 (2006) issue 18)
8. E. A. Kroger, F. Allegretti, M. J. Knight, M. Polcik, D. I. Sayago, D. P. Woodruff, V. R. Dhanak, Structural characterisation of ultra-thin VOx films on TiO2(110) Surf. Sci. 600 (2006) 4813-4824
9. A G Norris, C A Lucas, R McGrath, F Schedin, G Thornton, T S Turner and D Norman, A surface anomalous diffraction study of the Ni(100)(3x3)-(Cs+O) system Surf. Rev in press
10. G. Charlton, P.B. Howes, C.A. Muryn, H. Raza, N. Jones, J.S.G. Taylor, C. Norris, R. McGrath, D. Norman, T.S. Turner and G. Thornton, Copper Interface-Induced Relaxation of TiO2(110)1x1, Phys. Rev. B., in press.
11. G. Charlton, S. Brennan, C.A. Muryn, R. McGrath, D. Norman, T.S. Turner and G. Thornton, Surface Relaxation of SrTiO3(001), Surf. Sci. Lett., in press.
12. A.G. Norris, F. Schedin, G. Thornton, V.R. Dhanak, T. S. Turner and R. McGrath, A surface x-ray diffraction study of the Rh(100) (2x2)-O reconstruction, Phys. Rev. B, in press.
13. A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T. S. Turner, G. Thornton and N. M. Harrison The Stability of Polar Oxide Surfaces submitted Nature submitted

EXAFS/NEXAFS

1. S. Tomic, B. G. Searle, A. Wander, N. M. Harrison, A. Dent and J. Inglesfield The DL_EXCURV Package DL Technical Report DL-TR-2005-001 (2005)

Scanning Probe Microscopy

1. Woodruff, DP Should surface science exploit more quantitative experiments? SURFACE SCIENCE Volume: 602 Issue: 18 Pages: 2963-2966 2008
2. Miao Yu, S.M. Driver and D.P. Woodruff, Scanning tunnelling microscopy investigation of the structure of methanethiolate on Ag(111) Langmuir 21 (2005) 7285-7291
3. G. Kyriakou, F.J. Williams, M.S. Tikhov, A. Wander, and R.M. Lambert Structure and dynamics of gold atomic chains grown on Cu(110): experiment and theory Phys Rev B72 121408 (2005)

Vibrational Spectroscopy

1. H M Tutuncu and G P Srivastava, Phonon pectrum and density of states on GaAs(001)-beta_2(2x4), Phys. Rev. B 76( (2007) 085345
2. H M Tutuncu and G P Srivastava,Theoretical studies of electronic states and phonon modes on the TiC(001)(1x1) surface, Surf Sci 601( (2007) 4025
3. S Bagci, H M Tutuncu and G P Srivastava, Ab initio} calculations of structural, electronic and dynamical properties of BeSe(110) surface, Surf Sci 601 ((2007) 4087
4. H M Tutuncu and G P Srivastava, Atomic geometry, electronic states and vibrational properties of the AlAs(110) surface, Surf Sci in press
5. Z. Chang and G. Thornton, Reactivity of thin film TiO2(110), Surf. Sci. in press
6. Z. Chang and G. Thornton, Effect of Pd on the interaction of formic acid with TiO2(110), Surf. Sci. in press.
7. H M Tutuncu, S C A Gay and G P Srivastava, Phonon dynamics of Si(001)/Bi(2X1), Surf Sci (in press)

First Principles Simulation: CRYSTAL

1. C.L. Bailey, S. Mukhopadhyay, A. Wander et al Structure and Stability of alpha-AlF3 Surfaces J. Phys. Chem. C 113 4976 (2009)
2. S. Tomic, B. Montanari and N.M. Harrison, The group III-Vs semiconductor energy gaps predicted by B3LYP hybrid functional, Physica E, 40, (2008) 2125
3. C.L. Bailey, A. Wander, S. Mukhopadhyay et al Adsorption of HF and HCl on the beta-AlF3 (100) surface Phys. Chem. Chem. Phys. 10 2918 (2008)
4. M. Habgood and N.M. Harrison An ab initio study of oxygen adsorption on tin dioxide Surf. Sci. 602 1072 (2008)
5. A. Wander, C.L. Bailey, S. Mukhopadhyay et al Steps, microfacets, and crystal morphology: An ab initio study of beta-AlF3 surfaces J. Phys. Chem. C 112 6515 (2008)
6. C.L. Bailey, A. Wander, S. Mukhopadhyay et al Characterization of Lewis acid sites on the (100) surface of beta-AlF3: Ab initio calculations of NH3 adsorption J. Chem. Phys. 128 (2008)
7. A. Wander, C.L. Bailey, S. Mukhopadhyay et al Ab initio studies of aluminium fluoride surfaces J. Mater. chem. 16 1906 (2006)
8. J. Scaranto, G. Mallia, S. Giorgianni et al A quantum-mechanical study of the vinyl fluoride adsorbed on the rutile TiO2(110) surface Surf. Sci. 600 305 (2006)
9. J.K. Murthy, U. Gross, S. Rudiger et al Aluminum chloride as a solid is not a strong Lewis acid J. Phys. Chem. B 110 8314 (2006)

First Principles Simulation: Plane Waves

1. M.J. Harrison, D.P. Woodruff, J. Robinson, Density functional theory calculations of adsorption-induced surface stress changes, Surf. Sci. 602 (2008) 226-234
2. R Miotto, G P Srivastava and A C Ferraz, Structure of Zn adsorption on GaAs(001)-(2X4), Appl Phys Lett (in press).
3. R Miotto, G P Srivastava and A C Ferraz, III--N(110) Surface Relaxation and its Dependence on the Chemical Bonding, Solid State Commun (in press)
4. R Miotto, G P Srivastava and A C Ferraz, Effects of gradient and non-linear core corrections on structural and electronic properties of GaN bulk and (001) surfaces, Physica B (in press)
5. M Cakmak, S C A Gay and G P Srivastava, Structure and energetics of segregated and nonsegregated H:Ge(001)/Si and Cl:Ge(001)/Si, Surf Sci (in press).
6. S C A Gay, M Cakmak and G P Srivastava, Comparative study of Bi overlayers on III-Sb(110(1X1) surfaces, Surf Sci (in press).
7. R Miotto, A C Ferraz and G P Srivastava, Dissociative adsorption of NF₃ on Si(001)-(2X1) Surf Sci (in press).
8. G P Srivastava, Theoretical modelling of semiconductor surfaces and interfaces, Vacuum (in press)
9. M.J. Harrison, D.P. Woodruff and J. Robinson, Density functional theory investigation of CN on Cu(111) and Ni(111) Surf. Sci. 600 (2006) 340-347
10. M. J. Harrison, D. P. Woodruff and J. Robinson, Density Functional Theory Investigation of the Structure of SO2 and SO3 on Cu(111) and Ni(111) Surf. Sci. 600 (2006) 1827-1836
11. M.J. Harrison, D.P. Woodruff, J. Robinson, D. Sander, W. Pan, J. Kirschner, Adsorbate-induced surface reconstruction and surface stress changes in Cu(100)/O: experiment and theory Phys. Rev. B 74 (2006) 165402-1-7 (Also selected to appear in Virtual Journal of Nanoscale Science & Technology, 14 (2006) issue 16)

NanoStructures and Nanotechnology

1. S. Tomic, T.S. Jones, N.M. Harrison, Absorption Characteristics of a Quantum Dot Array Induced Intermediate Band: Implications for Solar Cell Design, Applied Physics Letters 93, (2008) 263105
2. N. Vukmirovic and S. Tomic, Plane wave methodology for single quantum dot electronic structure calculations, Journal of Applied Physics, 103, (2008) 103718
3. S. Tomic, N.M. Harrison, T.S. Jones, Electronic structure of QD arrays: Application to intermediate-band solar cells, Optical and Quantum Electronics, 40, (2008) 313
4. S. Tomic, Optical properties of dilute nitrogen GaInNAs quantum dots, Applied Physics Letters, 90, (2007) 121115
5. S. Tomic, P. Howe, N.M. Harrison, and T.S. Jones, Theoretical analysis of strain and strain-decay in InAs/GaAs(001) multilayer quantum dot growth, Journal of Applied Phyisics, 99, (2006) 093522
6. S. Tomic, Electronic structure of InGaAsN/GaAs(N) quantum dots by 10-band kp theory, Physical Review B, 73, (2006) 125348
7. S. Tomic, A.G. Sunderland, and I.J. Bush, Parallel multi-band kp code for electronic structure of zinc-blend semiconductor quantum dots, Journal of Materials Chemistry, 16, (2006) 1963-1972 (Special Issue)

LEED

1. Busayaporn, W; Torrelles, X; Wander, A, et al. Geometric structure of TiO2(110)(1X1): Confirming experimental conclusions Source: PHYSICAL REVIEW B Volume: 81 Issue: 15 Article Number: 153404 Published: 2010
2. R.A.Fellows, A. R. Lennie, D.J. Vaughan and G. Thornton, A LEED study
3. R. Lindsay, S. Tomic, A. Wander, M. Garcia-Mendez, and G. Thornton, A low energy electron diffraction study of TiO2(110)(2x1)-[HCOO], Journal of Physical Chemistry C, 112, (2008) 14154